Geometry & MOs

Info

ID:	161374
PubChem CID:	57391489
Reduced:	O3F6N8H24C28 (1)
Stoich.:	A3B6C8D24E28 (1)
Weight, g/mol:	434.167568
ΔH_f, kcal/mol:	-264.56
Dipole, Da:	6.02
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-bis[(2R)-1-(triazol-2-yl)propan-2-yl]triazino[4,5-g][1,2,3]benzotriazine-4,9-dione

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC2=C1N(C(=NC3=CC(=CC=C3)OC(F)(F)F)N2CC4=CC=C(C=C4)C(=O)NC5=NNN=N5)C)C(F)(F)F

DOS

IR

Vibrations